3-(3-tert-butylphenyl)-2-methylpropanal

3-(1,1-Dimethylethyl)-α-methylbenzenepropanal
3-(3-Tertbutylphenyl)-2-methylpropanal
Benzenepropanal, 3-(1,1-dimethylethyl)-α-methyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GLZRHVTZLDNUQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3
IUPAC name chemrof:IUPAC_name	3-(3-tert-butylphenyl)-2-methylpropanal
Molecular formula chemrof:molecular_formula	C14H20O
Molecular mass chemrof:molecular_mass	204.313
Monoisotopic mass chemrof:monoisotopic_mass	204.151415
SMILES string chemrof:smiles_string	CC(C=O)Cc1cccc(C(C)(C)C)c1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=62518-65-4	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.057.782	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8052304	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UGB2D7505H	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.062J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/112494	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27291068	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ae95ba3f-9960-46cf-bdd4-8bd3951665c9	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8d9dc4a6-61b5-4c0d-92f3-a3695cb836cb	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
f98dfbe3-5221-4b71-988b-1839f0d0a6cb	Environmental → Air → Indoor	EF 3.1	kg	2
34a4b4c3-3577-4b2c-846e-2e45ccc08961	Environmental → Air → Long-term	EF 3.1	kg	0
08419232-ab2a-4f7e-bc9c-d8c2c0997a02	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
cbebd52d-1be0-45a1-bb6a-a7871f90c5a8	Environmental → Air → Unknown	EF 3.1	kg	2
44952ba9-a671-4e6f-b788-31292e69b232	Environmental → Ground → Agricultural	EF 3.1	kg	2
f569072d-0925-46ea-b78c-4b6c04ef9b5b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e8a8f73f-a127-48df-8d81-f2068eec83d0	Environmental → Ground → Unknown	EF 3.1	kg	2
2bf3de15-1ab9-42f9-a629-efda76a04e29	Environmental → Water → Long-term	EF 3.1	kg	0
f46a51fc-93c9-4f86-8519-9b857faaac17	Environmental → Water → Ocean	EF 3.1	kg	2
01905d71-bebc-4aee-8876-80ad0a439a4f	Environmental → Water → Surface water	EF 3.1	kg	2
e2c61825-0959-4c64-af57-39d3f7eb2dd0	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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3-(3-tert-butylphenyl)-2-methylpropanal

Identity

Structure

Alternative labels

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